N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine

C22H16N2O2 — CID 70034330

IUPACN-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine
SMILESc1ccc2c(c1)Oc1ccc(NCc3ccc4ccccc4n3)cc1O2
InChIInChI=1S/C22H16N2O2/c1-2-6-18-15(5-1)9-10-17(24-18)14-23-16-11-12-21-22(13-16)26-20-8-4-3-7-19(20)25-21/h1-13,23H,14H2
InChIKeyHQTFPWONHZOVRK-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.74
Rot. Bonds3

About N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine

N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine (PubChem CID 70034330) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine.

Molecular Properties

Compound NameN-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine
PubChem CID70034330
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine
SMILESc1ccc2c(c1)Oc1ccc(NCc3ccc4ccccc4n3)cc1O2
InChIInChI=1S/C22H16N2O2/c1-2-6-18-15(5-1)9-10-17(24-18)14-23-16-11-12-21-22(13-16)26-20-8-4-3-7-19(20)25-21/h1-13,23H,14H2
InChIKeyHQTFPWONHZOVRK-UHFFFAOYSA-N
XLogP5.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinolin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 28774891
3-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774836
4-ethyl-N-(quinolin-2-ylmethyl)aniline
CID 29292689
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
N-(quinolin-2-ylmethyl)-9H-fluoren-2-amine
CID 23521801
3-chloro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774802
2-methoxy-5-(quinolin-2-ylmethylamino)phenol
CID 64955663
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780
N-(quinolin-2-ylmethyl)thiophen-3-amine
CID 66352127
2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile
CID 60673249
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 82860064

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine?
The IUPAC name of N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine (CID 70034330) is N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine.
What is the SMILES notation for N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine?
The canonical SMILES for N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine is c1ccc2c(c1)Oc1ccc(NCc3ccc4ccccc4n3)cc1O2.
What is the InChIKey of N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine?
The InChIKey is HQTFPWONHZOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-2-6-18-15(5-1)9-10-17(24-18)14-23-16-11-12-21-22(13-16)26-20-8-4-3-7-19(20)25-21/h1-13,23H,14H2.
What are the key properties of N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine?
N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine has a molecular weight of 340.38 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine is sourced from PubChem (CID 70034330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).